SCHEMBL29607128

SCHEMBL29607128

CCCn1cc(-c2nc(Nc3ccc(N4CCN(C)CC4)cc3F)ncc2F)cn1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.51
▸ TYK2 P29597 4/20 0.51
▸ JAK3 P52333 2/20 0.51
▸ JAK1 P23458 2/20 0.51
▸ STAT3 P40763 1/20 0.51
▸ EGFR P00533 3/20 0.50
▸ FGFR1 P11362 1/20 0.48
▸ KDR P35968 1/20 0.48
▸ CDK6 Q00534 10/20 0.47
▸ CCND1 P24385 5/20 0.47
▸ CDK4 P11802 7/20 0.47
▸ CDK1 P06493 6/20 0.47
▸ CCNA2 P20248 6/20 0.47
▸ CCND3 P30281 6/20 0.47
▸ CCNE2 O96020 3/20 0.47
▸ CDK2 P24941 3/20 0.47
▸ PIM1 P11309 1/20 0.47
▸ CSF1R P07333 1/20 0.46
▸ ALK Q9UM73 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
SCHEMBL24663787 1.00 JAK2 (0.51) JAK2TYK2JAK3JAK1STAT3
SCHEMBL24663780 0.93 CDK6 (0.46) JAK2TYK2JAK3JAK1STAT3
SCHEMBL29608252 0.93 CDK6 (0.46) JAK2TYK2JAK3JAK1STAT3
SCHEMBL29606969 0.84 EGFR (0.55) JAK2JAK3JAK1EGFRCDK6
SCHEMBL24664306 0.84 EGFR (0.55) JAK2JAK3JAK1EGFRCDK6
SCHEMBL24663774 0.84 AXL (0.60) JAK2TYK2JAK3JAK1STAT3
SCHEMBL29608968 0.84 AXL (0.60) JAK2TYK2JAK3JAK1STAT3
SCHEMBL24664385 0.79 CDK6 (0.52) JAK2JAK3JAK1EGFRCDK6
SCHEMBL29608582 0.79 CDK6 (0.52) JAK2JAK3JAK1EGFRCDK6
SCHEMBL24664549 0.79 AXL (0.58) JAK2TYK2JAK3JAK1STAT3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114423750-B 2, 4-Disubstituted pyrimidine derivative, preparation method and application thereof 成都赜灵生物医药科技有限公司 2024-04-19 — — CN disclosed
CN-114423750-A 2, 4-disubstituted pyrimidine derivative and preparation method and application thereof 成都赜灵生物医药科技有限公司 2022-04-29 — — CN disclosed
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