SCHEMBL28809489

SCHEMBL28809489

N=C(N)c1ccnc(-c2ccccc2Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.42
F10 P00742 3/20 0.42
F7 P08709 2/20 0.42
F12 P00748 1/20 0.42
F3 P13726 1/20 0.42
PKM P14618 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
PRSS1 P07477 4/20 0.42
PRSS2 P07478 3/20 0.42
PRSS3 P35030 3/20 0.42
MAPK14 Q16539 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
BLM P54132 1/20 0.41
CYP19A1 P11511 1/20 0.41
C1S P09871 2/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
GRM5 P41594 1/20 0.40
MAPKAPK2 P49137 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
Hydrochloric Acid SCHEMBL9792756 0.79 PRSS1 (0.50) F2F10F7F12F3
SCHEMBL27893662 0.76 ASIC3 (0.56) MAPK14HSP90AA1HSP90AB1CYP19A1GRM5
SCHEMBL9792777 0.76 PRSS1 (0.61) F2PRSS1PRSS2PRSS3C1S
SCHEMBL2410176 0.76 KDM4C (0.60) PKMKDM4CMAPK14KMT2A
SCHEMBL14226702 0.76 KDM4C (0.48) KDM4CKMT2AMAPKAPK2
SCHEMBL14241385 0.76 KDM4C (0.48) KDM4CMAPK14MAPKAPK2
SCHEMBL5673245 0.75 CCR1 (0.46) PKMMAPK14HSP90AA1HSP90AB1CYP19A1
SCHEMBL2435961 0.73 RECQL (0.44) F2F10F12PRSS1PRSS2
SCHEMBL27945042 0.73 CYP1A2 (0.49) MAPK14HSP90AA1HSP90AB1CYP19A1
SCHEMBL4766667 0.73 JMJD6 (0.58) KDM4CKMT2A

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
CN-103429583-A Triazole derivatives as WNT signaling pathway inhibitors OSLO UNIVERSITY HOSPITAL HF 2013-12-04 CN disclosed