SCHEMBL22273019

SCHEMBL22273019

CCOC(=O)c1cnc2c(N(C)Cc3ccccc3)cc(-c3c[nH]c4nccc(C(C)C)c34)nn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.34
▸ SLC26A6 Q9BXS9 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ ADORA3 P0DMS8 2/20 0.33
▸ ADORA2A P29274 2/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ CDC7 O00311 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PRKACA P17612 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ HIPK2 Q9H2X6 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33

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
SCHEMBL22252351 0.87 CDC7 (0.44) LMNAMAPTMEN1KMT2AATM
SCHEMBL22252315 0.78 TYK2 (0.44) LMNAMAPTMEN1KMT2AATM
SCHEMBL22272859 0.76 CDK2 (0.49) CDC7ROCK2PIM1PRKACACDK2
SCHEMBL22229054 0.76 MEN1 (0.45) LMNAMAPTMEN1KMT2AATM
SCHEMBL22252314 0.73 ELANE (0.37) LMNAMAPTMEN1KMT2AATM
SCHEMBL22252367 0.72 TYK2 (0.41) —
SCHEMBL22252361 0.72 TYK2 (0.47) MEN1KMT2APOLBGSK3B
SCHEMBL22272863 0.70 TYK2 (0.41) CDC7ROCK2PIM1PRKACACDK2
SCHEMBL22252343 0.69 KMT2A (0.40) LMNAMAPTMEN1KMT2AATM
SCHEMBL22252603 0.68 TYK2 (0.47) ALDH1A1GSK3B

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-2020154474-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2020-07-30 — — WO disclosed
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