SCHEMBL30143569

SCHEMBL30143569

Cc1nn(C)cc1N1C(=O)Cc2ccncc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
RGS12 O14924 1/20 0.38
USP2 O75604 1/20 0.38
RECQL P46063 1/20 0.38
KDM4C Q9H3R0 1/20 0.36
NAMPT P43490 3/20 0.34
CYP3A4 P08684 1/20 0.34
POLB P06746 1/20 0.32
FGFR1 P11362 6/20 0.32
FGFR4 P22455 6/20 0.32
FGFR2 P21802 5/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
FGFR3 P22607 2/20 0.32
HPGD P15428 1/20 0.32
BCL2A1 Q16548 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL21827037 0.80 KMT2A (0.41) MEN1KMT2AMAPTCYP3A4HPGD
SCHEMBL12045381 0.73 ACVRL1 (0.43) CYP3A4ADORA3ADORA2A
SCHEMBL30143562 0.72 HTR7 (0.39) MEN1KMT2AMAPT
SCHEMBL1149992 0.71 HPGD (0.65) MEN1KMT2AMAPTRECQLCYP3A4
SCHEMBL26102654 0.70 HPGD (0.51) MEN1KMT2AMAPTHPGD
SCHEMBL30143567 0.70 KMT2A (0.50) MEN1KMT2AHPGDCA12CA1
SCHEMBL27520534 0.67 HPGD (0.36) MAPTRECQLNAMPTCYP3A4HPGD
SCHEMBL21733177 0.66 SIGMAR1 (0.35) MEN1KMT2AMAPTCYP3A4ADORA3
SCHEMBL14560232 0.66 BMPR1B (0.46) CYP3A4
SCHEMBL13125709 0.65 SIGMAR1 (0.40) CYP3A4ADORA3ADORA2A

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
CN-115703798-A Azaindolinone derivatives and their use in medicine 成都百裕制药股份有限公司 2023-02-17 CN disclosed