SCHEMBL30515505

SCHEMBL30515505

Fc1cnc(Nc2cc3ccccc3cn2)nc1Nc1ccc(N2CCNCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 2/20 0.57
▸ AURKA O14965 2/20 0.51
▸ AURKB Q96GD4 2/20 0.51
▸ CDK6 Q00534 3/20 0.50
▸ CTSC P53634 2/20 0.50
▸ PIM1 P11309 2/20 0.50
▸ EGFR P00533 1/20 0.50
▸ CTSL P07711 1/20 0.50
▸ CTSK P43235 1/20 0.50
▸ BRD4 O60885 3/20 0.49
▸ STAT6 P42226 2/20 0.49
▸ STK17A Q9UEE5 3/20 0.48
▸ PDGFRB P09619 1/20 0.48
▸ PDGFRA P16234 1/20 0.48
▸ STK17B O94768 1/20 0.48
▸ FLT3 P36888 3/20 0.48
▸ BTK Q06187 3/20 0.48
▸ CDK2 P24941 3/20 0.48
▸ CCNA2 P20248 2/20 0.48
▸ CDK4 P11802 1/20 0.48

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
SCHEMBL26619987 0.80 CCND3 (0.59) SYKCDK6CTSCBRD4FLT3
SCHEMBL30670378 0.78 AURKA (0.64) SYKAURKAAURKBEGFRBRD4
SCHEMBL26619999 0.77 BRD4 (0.50) SYKAURKAAURKBCDK6CTSC
SCHEMBL26619859 0.75 BRD4 (0.59) SYKAURKAEGFRBRD4STK17A
SCHEMBL26620653 0.74 PDGFRB (0.56) SYKEGFRBRD4STAT6STK17A
SCHEMBL29847505 0.73 WEE1 (0.55) CDK6BRD4STAT6STK17ASTK17B
SCHEMBL16514148 0.73 WEE1 (0.55) CDK6BRD4STAT6STK17ASTK17B
SCHEMBL657421 0.73 SYK (1.00) SYKAURKAAURKBCDK6EGFR
SCHEMBL4071177 0.72 IGF1R (0.62) CDK6CTSCCTSLCTSKBRD4
SCHEMBL4068781 0.72 CDK6 (0.58) CDK6PIM1CDK2CCNA2CDK4

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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