SCHEMBL22695236

SCHEMBL22695236

Cn1cc(-c2ccnc(Nc3ccc4nccc(Cl)c4c3)n2)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.58
▸ FLT3 P36888 1/20 0.54
▸ MKNK1 Q9BUB5 1/20 0.54
▸ MKNK2 Q9HBH9 1/20 0.54
▸ HDAC1 Q13547 3/20 0.54
▸ HDAC3 O15379 1/20 0.49
▸ HDAC4 P56524 1/20 0.49
▸ HDAC7 Q8WUI4 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ HDAC10 Q969S8 1/20 0.49
▸ HDAC11 Q96DB2 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ HDAC9 Q9UKV0 1/20 0.49
▸ HDAC5 Q9UQL6 1/20 0.49
▸ GSK3B P49841 2/20 0.49
▸ CCNT1 O60563 1/20 0.49
▸ CDK9 P50750 1/20 0.49
▸ KDR P35968 1/20 0.48
▸ PLK1 P53350 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
SCHEMBL30748657 1.00 EGFR (0.58) EGFRFLT3MKNK1MKNK2HDAC1
SCHEMBL29423844 0.88 EGFR (0.58) EGFRFLT3MKNK1MKNK2HDAC1
SCHEMBL22695238 0.88 EGFR (0.58) EGFRFLT3MKNK1MKNK2HDAC1
SCHEMBL30129425 0.85 EGFR (0.59) EGFRFLT3MKNK1MKNK2HDAC1
SCHEMBL30129517 0.84 EGFR (0.68) EGFRFLT3MKNK1MKNK2HDAC1
SCHEMBL30129482 0.83 EGFR (0.59) EGFRFLT3MKNK1MKNK2HDAC1
SCHEMBL22689068 0.80 EGFR (0.76) EGFRKDR
SCHEMBL30129576 0.80 EGFR (0.68) EGFRFLT3MKNK1MKNK2HDAC1
SCHEMBL2547336 0.80 EGFR (0.71) EGFRFLT3MKNK1MKNK2HDAC1
SCHEMBL30129167 0.80 EGFR (0.60) EGFRFLT3MKNK1MKNK2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112292378-B Indole derivative-containing inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-02-06 — — CN disclosed
EP-3974423-A1 INDOLE DERIVATIVE-CONTAINING INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2022-03-30 — — EP disclosed
CN-112292378-A Indole derivative-containing inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2021-01-29 — — CN disclosed
WO-2020233669-A1 INDOLE DERIVATIVE-CONTAINING INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 (CN) 2020-11-26 — — WO disclosed
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