SCHEMBL5253142

SCHEMBL5253142

CSc1cccc(NN2C=CC=C(C(N)=O)C2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 5/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 2/20 0.38
RECQL P46063 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL9497253 0.89 MAPT (0.46) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL9494535 0.88 KDM4E (0.31) MEN1KMT2AKDM4E
SCHEMBL9496918 0.82 KMT2A (0.42) MEN1KMT2APOLBSMN1; SMN2TP53
SCHEMBL9499230 0.81 TSHR (0.39) MEN1KMT2AMAPTSMN1; SMN2HPGD
SCHEMBL9499116 0.76 MAPT (0.32) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL9494438 0.75 EPHX1 (0.40) MEN1KMT2AKDM4EMAPTHSD17B10
SCHEMBL9498421 0.73
SCHEMBL5252939 0.72 RAB9A (0.45) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL5253143 0.71 MEN1 (0.43) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL9494589 0.70 NPC1 (0.45) MEN1KMT2AKDM4EMAPTSMN1; SMN2

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
EP-1770093-A1 Pyrido¬2,3-d|pyrimidine derivatives as phosphodiesterase inhibitors Roche Palo Alto LLC (US) 2007-04-04 EP disclosed
EP-0631580-A1 PYRIDO 2,3-d]PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1995-01-04 EP disclosed
US-5264437-A Antiinflammatory agents, immunosuppressants or antiallergens SYNTEX (U.S.A.) INC. (US) 1993-11-23 US disclosed
WO-1993019068-A1 PYRIDO[2,3-d]PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1993-09-30 WO disclosed