SCHEMBL19139192

SCHEMBL19139192

COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc2c1-c1cnc(N)c(c1)-c1ccccc1S(=O)(=O)NC2C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.44
▸ SMARCA2 P51531 2/20 0.41
▸ SMARCA4 P51532 2/20 0.41
▸ PBRM1 Q86U86 2/20 0.41
▸ ALK Q9UM73 5/20 0.38
▸ FYN P06241 3/20 0.36
▸ KIT P10721 1/20 0.36
▸ RET P07949 3/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ CKS1B P61024 1/20 0.36
▸ SKP1 P63208 1/20 0.36
▸ SKP2 Q13309 1/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ GPR119 Q8TDV5 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
SCHEMBL17404677 0.70 PIK3CA (0.45) PIK3CASMARCA2SMARCA4PBRM1ALK
SCHEMBL31173935 0.70 ALK (0.50) PIK3CASMARCA2SMARCA4PBRM1ALK
SCHEMBL25192257 0.70 ALK (0.50) PIK3CASMARCA2SMARCA4PBRM1ALK
SCHEMBL20293532 0.67 GPR119 (0.57) SMARCA2SMARCA4PBRM1PTPN11CKS1B
SCHEMBL30796360 0.66 SMARCA2 (0.58) PIK3CASMARCA2SMARCA4PBRM1ALK
SCHEMBL1707770 0.64 MAPT (0.57) SMARCA2SMARCA4PBRM1ALKPDK2
SCHEMBL30431090 0.64 LMNA (0.44) ALKPDK2GPR119
SCHEMBL28534844 0.64 LMNA (0.44) ALKPDK2GPR119
SCHEMBL21045603 0.63 TRPC6 (0.56) PIK3CASMARCA2SMARCA4PBRM1ALK
SCHEMBL30419595 0.63 TRPC6 (0.56) PIK3CASMARCA2SMARCA4PBRM1ALK

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-9708295-B2 Substituted 2-aminopyridine protein kinase inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-07-18 — — US disclosed
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