SCHEMBL14014271

SCHEMBL14014271

COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc3cc(C(=O)O)nn23)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.56
CASP1 P29466 2/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
KDM4E B2RXH2 6/20 0.55
ALDH1A1 P00352 5/20 0.55
TP53 P04637 4/20 0.52
HPGD P15428 4/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
LMNA P02545 2/20 0.49
TTR P02766 1/20 0.46
HSD17B10 Q99714 4/20 0.45
CFTR P13569 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43

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
SCHEMBL14014272 0.90 TP53 (0.58) MAPTCASP1TSHRMAPK1KDM4E
SCHEMBL14014306 0.88 MAPT (0.62) MAPTCASP1TSHRMAPK1KDM4E
SCHEMBL14014284 0.88 TP53 (0.58) MAPTCASP1TSHRMAPK1KDM4E
SCHEMBL14014192 0.84 KDM4E (0.64) MAPTCASP1TSHRMAPK1KDM4E
SCHEMBL14014189 0.83 KDM4E (0.77) MAPTMAPK1KDM4EALDH1A1TP53
SCHEMBL14014104 0.82 KDM4E (0.68) MAPTMAPK1KDM4EALDH1A1TP53
SCHEMBL14014187 0.82 KDM4E (0.68) MAPTMAPK1KDM4EALDH1A1TP53
SCHEMBL14014191 0.82 KDM4E (0.62) MAPTCASP1TSHRMAPK1KDM4E
SCHEMBL14014190 0.82 KDM4E (0.59) MAPTCASP1TSHRMAPK1KDM4E
SCHEMBL14014228 0.82 KDM4E (0.63) MAPTCASP1TSHRMAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449488-B2 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-7449488-B2 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-7196111-B2 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents SCHERING CORPORATION (US) 2007-03-27 US disclosed
US-7196111-B2 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents SCHERING CORPORATION (US) 2007-03-27 US disclosed