SCHEMBL27896141

SCHEMBL27896141

CCOC(=O)c1ccc(C)c(C#Cc2csc3c(N(c4ccccc4)N4CCOCC4)ncnc23)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.38
PIK3CD O00329 1/20 0.36
PIK3R2 O00459 1/20 0.36
BRD4 O60885 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
CASR P41180 1/20 0.35
MAPT P10636 3/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 2/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPK1 P28482 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
MC4R P32245 1/20 0.34

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
SCHEMBL2233153 0.77 GAA (0.50) PIK3CAPIK3CDPIK3R2BRD4PIK3CB
SCHEMBL2235379 0.74 STK17B (0.39) MAPTRAB9ATSHRALDH1A1L3MBTL1
SCHEMBL2233188 0.72 RAB9A (0.38) MAPTRAB9AALDH1A1MAPK1L3MBTL1
SCHEMBL2233024 0.71 KDM4E (0.37) MAPTRAB9AMEN1KMT2ATSHR
SCHEMBL2299923 0.71 PTK2 (0.50) MAPTRAB9AKMT2ATSHRALDH1A1
SCHEMBL20895103 0.68 CSNK2A1 (0.49) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL2232410 0.68 BRAF (0.42) MAPTRAB9AKMT2ATSHRALDH1A1
SCHEMBL14125075 0.68 KDM4E (0.39) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL11496084 0.66 ALDH1A1 (0.62) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL27815576 0.65 PIK3CA (0.46) PIK3CAMAPTRAB9AALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102741256-A Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase HANMI PHARM IND CO LTD 2012-10-17 CN claimed
CN-102741256-B Protein kinase is had to the bicyclic heteroaryl derivative of inhibit activities HANMI PHARM. CO.,LTD. (KR) 2015-12-02 CN disclosed
CN-102741256-A Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase HANMI PHARM IND CO LTD 2012-10-17 CN disclosed