SCHEMBL3382845

SCHEMBL3382845

C=C(F)/C(=C\C=C/C)c1cc(-c2c(NC(C)=O)ccc3cnccc23)c2cccnc2n1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CHUK O15111 1/20 0.31
CKS1B P61024 1/20 0.31
SKP2 Q13309 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.30
IMPDH2 P12268 2/20 0.30

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
SCHEMBL3380520 0.61 MAPT (0.37) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL4023574 0.60 MAPT (0.62) ATMMEN1KMT2AKDM4EALDH1A1
SCHEMBL246399 0.59 ADORA2A (0.45) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL20421676 0.58 ALDH1A1 (0.54) ATMMEN1KMT2AKDM4EALDH1A1
SCHEMBL4026288 0.58 IMPDH2 (0.49) ATMKDM4EALDH1A1MAPTCHUK
SCHEMBL16508205 0.58 IMPDH2 (0.42) ATMKMT2AKDM4EALDH1A1MAPT
SCHEMBL20436327 0.57 ALDH1A1 (0.57) KMT2AKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL247776 0.57 NPC1 (0.40) KDM4EALDH1A1SMN1; SMN2IMPDH2
SCHEMBL10609908 0.57 KDM4E (0.54) KDM4EALDH1A1MAPT
SCHEMBL13286792 0.56 ATM (0.54) ATMMEN1KMT2AKDM4EALDH1A1

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
WO-2012000595-A1 2,4- DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GMBH (DE) 2012-01-05 WO disclosed