SCHEMBL25097176

SCHEMBL25097176

Cc1cn2cc(NC(=O)c3ccc(N4CCNC5(CC5)C4)c4ccnnc34)cc(F)c2n1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 2/20 0.34
▸ AURKB Q96GD4 2/20 0.34
▸ LCK P06239 1/20 0.34
▸ ROCK2 O75116 1/20 0.33
▸ ABL1 P00519 4/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ CTNNB1 P35222 1/20 0.32
▸ TCF7L2 Q9NQB0 1/20 0.32
▸ WEE1 P30291 1/20 0.32
▸ PLK1 P53350 1/20 0.32
▸ RPS6KB1 P23443 1/20 0.32
▸ HTT P42858 1/20 0.30
▸ KIF18A Q8NI77 1/20 0.30

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
Hydrochloric Acid SCHEMBL30312636 0.99 LCK (0.34) PTK6AURKBLCKROCK2ABL1
SCHEMBL25096247 0.92 CTNNB1 (0.39) PTK6AURKBLCKIRAK4CTNNB1
Hydrochloric Acid SCHEMBL30312602 0.92 CTNNB1 (0.39) PTK6AURKBLCKIRAK4CTNNB1
SCHEMBL25095792 0.92 KIF18A (0.33) KIF18A
SCHEMBL25096536 0.89 KDM4E (0.36) PTK6AURKBLCKROCK2ABL1
SCHEMBL25096256 0.89 PTK6 (0.36) PTK6AURKBCTNNB1TCF7L2
SCHEMBL30217685 0.88 ROCK2 (0.36) PTK6AURKBLCKROCK2ABL1
SCHEMBL25096360 0.88 ROCK2 (0.36) PTK6AURKBLCKROCK2ABL1
SCHEMBL25096817 0.88 ROCK2 (0.35) PTK6AURKBLCKROCK2ABL1
SCHEMBL25096988 0.88 ABL1 (0.39) PTK6AURKBLCKROCK2ABL1

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-2023034811-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. (US) 2023-03-09 — — WO disclosed
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