SCHEMBL787471

SCHEMBL787471

CCCc1cccc(Nc2nnc(-c3ccc(C(=O)OC)cc3)c3ccncc23)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.51
CSNK2A1 P68400 2/20 0.46
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GPR84 Q9NQS5 2/20 0.41
ABCG2 Q9UNQ0 2/20 0.41
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ABCB1 P08183 1/20 0.40

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
SCHEMBL788348 0.90 KDR (0.63) KDRMAPTTP53MEN1KMT2A
SCHEMBL787470 0.83 KDR (0.52) KDRCSNK2A1MAPTCSNK2A2CSNK2B
SCHEMBL788156 0.83 KDR (0.67) KDRMAPTTP53MEN1KMT2A
SCHEMBL787835 0.83 KDR (0.53) KDRCSNK2A1MAPTCSNK2A2CSNK2B
SCHEMBL787760 0.77 MAPK1 (0.43) KDRMAPTTP53KDM4E
SCHEMBL806102 0.76 KDR (0.68) KDRMAPTTP53MEN1KMT2A
SCHEMBL806103 0.74 KDR (0.78) KDRMAPTTP53MEN1KMT2A
SCHEMBL806125 0.74 KDR (0.72) KDRMAPTMEN1KMT2A
SCHEMBL788175 0.74 KDR (0.78) KDRMAPTMEN1KMT2AKDM4E
SCHEMBL788057 0.74 KDR (0.77) KDRMAPTTP53MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616443-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS Exelixis, Inc. (US) 2013-07-24 EP claimed
WO-2012037132-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS EXELIXIS, INC. (US) 2012-03-22 WO claimed