SCHEMBL25056368

SCHEMBL25056368

CP(C)(=O)c1ccccc1Nc1nc(N)ncc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 3/20 0.46
▸ CDK7 P50613 2/20 0.45
▸ CDK9 P50750 2/20 0.45
▸ EGFR P00533 3/20 0.44
▸ ALK Q9UM73 3/20 0.41
▸ INSR P06213 1/20 0.41
▸ MAPK8 P45983 3/20 0.40
▸ MAPK9 P45984 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ PTK2 Q05397 5/20 0.39
▸ CDK19 Q9BWU1 1/20 0.39
▸ MAP4K1 Q92918 3/20 0.38
▸ CDC7 O00311 1/20 0.38
▸ DAPK3 O43293 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ PAK4 O96013 1/20 0.38
▸ PIM1 P11309 1/20 0.38

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
SCHEMBL13832208 0.84 CDK7 (0.61) IGF1RCDK7CDK9EGFRALK
SCHEMBL29833319 0.84 CDK7 (0.61) IGF1RCDK7CDK9EGFRALK
SCHEMBL30173407 0.84 IGF1R (0.49) IGF1RCDK7CDK9EGFRALK
SCHEMBL13832181 0.84 IGF1R (0.49) IGF1RCDK7CDK9EGFRALK
SCHEMBL30428996 0.81 MAP4K1 (0.50) IGF1RCDK7CDK9EGFRALK
SCHEMBL28996954 0.81 MAP4K1 (0.50) IGF1RCDK7CDK9EGFRALK
SCHEMBL25056485 0.77 IGF1R (0.50) IGF1RCDK7CDK9EGFRALK
SCHEMBL26506792 0.77 ULK1 (0.55) IGF1RCDK7CDK9ALKMAPK8
SCHEMBL13832185 0.77 ALK (0.56) IGF1REGFRALKINSRMAP4K1
SCHEMBL25637977 0.76 JAK1 (0.35) IGF1RCDK7CDK9EGFRALK

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
EP-4137484-A1 TRICYCLIC COMPOUNDS AS EGFR INHIBITORS QILU PHARMACEUTICAL CO., LTD. (CN) 2023-02-22 — — EP disclosed
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