SCHEMBL4119705

SCHEMBL4119705

FC(F)(F)c1nc2cc(Nc3nc(Cl)ncc3Br)ccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CDK1 P06493 8/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ EGFR P00533 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ CDK4 P11802 1/20 0.36
▸ MAPK3 P27361 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL4107794 0.87 CDK1 (0.42) CDK1NPSR1HSD17B10HTTKDM4E
SCHEMBL3984145 0.77 CDK1 (0.60) MEN1KMT2ACDK1EGFRCDK4
SCHEMBL4131075 0.73 CTSC (0.56) MAPTEGFRPOLBLMNASMN1; SMN2
SCHEMBL3769145 0.73 WEE1 (0.62) EGFRIGF1R
Hydrochloric Acid SCHEMBL10002647 0.72 MAPT (0.53) MEN1KMT2ANPSR1HSD17B10HTT
SCHEMBL6675253 0.70 MEN1 (0.62) MEN1KMT2ACDK1EGFRIGF1R
SCHEMBL13002653 0.70 NPSR1 (0.53) MEN1KMT2ANPSR1HSD17B10HTT
SCHEMBL21672280 0.70 FGFR4 (0.51) NPSR1HTTKDM4EMAPTHPGD
SCHEMBL29215757 0.70 MEN1 (0.49) MEN1KMT2ACDK1EGFRIGF1R
SCHEMBL1391444 0.70 POLB (0.47) MEN1KMT2ACDK1NPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009063240-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF AURORA KINASE ARROW THERAPEUTICS LIMITED (GB) 2009-05-22 — — WO disclosed
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