SCHEMBL22763458

SCHEMBL22763458

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccnc6c5sc5ccccc56)cc4)cc3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 5/20 0.41
▸ CDK5 Q00535 2/20 0.41
▸ CDK5R1 Q15078 1/20 0.41
▸ EGFR P00533 3/20 0.38
▸ TNKS O95271 2/20 0.36
▸ TNKS2 Q9H2K2 2/20 0.36
▸ KRAS P01116 1/20 0.36
▸ ROCK1 Q13464 2/20 0.36
▸ IKBKB O14920 1/20 0.36
▸ CHUK O15111 1/20 0.36
▸ DAPK3 O43293 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ PRKD3 O94806 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ PAK4 O96013 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ RET P07949 1/20 0.36
▸ IGF1R P08069 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ PRKACA P17612 1/20 0.36

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
SCHEMBL21032093 0.99 LIMK1 (0.42) LIMK1CDK5CDK5R1EGFRTNKS
SCHEMBL16922473 0.94 LIMK1 (0.43) LIMK1CDK5CDK5R1EGFRROCK1
SCHEMBL22763822 0.92 MEN1 (0.41) LIMK1CDK5CDK5R1KRASROCK1
SCHEMBL22763457 0.92 MEN1 (0.41) LIMK1CDK5CDK5R1KRASROCK1
SCHEMBL21263478 0.91 LIMK1 (0.38) LIMK1CDK5CDK5R1EGFRTNKS
SCHEMBL21263398 0.91 LIMK1 (0.39) LIMK1CDK5CDK5R1EGFRTNKS
SCHEMBL18232948 0.90 LIMK1 (0.49) LIMK1CDK5CDK5R1EGFRTNKS
SCHEMBL24589835 0.90 LIMK1 (0.49) LIMK1CDK5CDK5R1EGFRTNKS
SCHEMBL16922539 0.90 LIMK1 (0.41) LIMK1CDK5CDK5R1EGFRROCK1
SCHEMBL16922471 0.88 LIMK1 (0.39) LIMK1CDK5CDK5R1EGFRKRAS

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
US-20200388768-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO.,LTD. (JP) 2020-12-10 — — US disclosed
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