SCHEMBL26619940

SCHEMBL26619940

COC(=O)c1ccc(Nc2cc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)c(F)cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 7/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ MAPT P10636 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ CCND3 P30281 2/20 0.47
▸ CCNK O75909 1/20 0.47
▸ CCNA2 P20248 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ CDK9 P50750 1/20 0.47
▸ CDK6 Q00534 1/20 0.47
▸ CDK4 P11802 1/20 0.46
▸ CCND1 P24385 1/20 0.46
▸ CCND2 P30279 1/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ JAK3 P52333 1/20 0.46
▸ NAMPT P43490 1/20 0.44
▸ GALR2 O43603 1/20 0.44
▸ GALR1 P47211 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26619901 0.80 MAPK10 (0.40) ALKMAPTKMT2ATSHRHTT
SCHEMBL2388387 0.80 MAPT (0.62) SMN1; SMN2MAPTMEN1KMT2ATSHR
SCHEMBL6132325 0.76 MAPT (0.58) SMN1; SMN2MAPTMEN1KMT2ATSHR
SCHEMBL11889811 0.76 MAPT (0.62) SMN1; SMN2MAPTMEN1KMT2ATSHR
SCHEMBL24891935 0.76 MAPT (0.62) SMN1; SMN2MAPTMEN1KMT2ATSHR
SCHEMBL64850 0.75 SMN1; SMN2 (0.57) SMN1; SMN2MAPTMEN1KMT2ATSHR
SCHEMBL22531665 0.75 MAPT (0.54) SMN1; SMN2MAPTMEN1KMT2ATSHR
SCHEMBL26619987 0.75 CCND3 (0.59) ALKCCND3CCNKCCNA2CDK2
SCHEMBL24490068 0.75 MAPT (0.56) ALKSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL26620009 0.74 CCND3 (0.58) ALKSMN1; SMN2MAPTMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023213211-A9 2,4-DISUBSTITUTED-5-FLUOROPYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND USE THEREOF 长沙晶易医药科技股份有限公司 2024-03-21 — — WO claimed
WO-2023213211-A1 2,4-DISUBSTITUTED-5-FLUOROPYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND USE THEREOF 长沙晶易医药科技股份有限公司 2023-11-09 — — WO claimed
CN-116514779-A 2, 4-disubstituted-5-fluoropyrimidine derivative and preparation method and application thereof 中南大学 2023-08-01 — — CN claimed
WO-2023213211-A9 2,4-DISUBSTITUTED-5-FLUOROPYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND USE THEREOF 长沙晶易医药科技股份有限公司 2024-03-21 — — WO disclosed
WO-2023213211-A1 2,4-DISUBSTITUTED-5-FLUOROPYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND USE THEREOF 长沙晶易医药科技股份有限公司 2023-11-09 — — WO disclosed
CN-116514779-A 2, 4-disubstituted-5-fluoropyrimidine derivative and preparation method and application thereof 中南大学 2023-08-01 — — CN disclosed
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