SCHEMBL9534839

SCHEMBL9534839

Cc1cc(-c2cccc(C(F)(F)F)c2)n2nc(C(F)(F)F)nc2n1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 2/20 0.48
DYRK1A Q13627 4/20 0.46
DYRK2 Q92630 4/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
CCNA2 P20248 3/20 0.46
CDK2 P24941 3/20 0.46
CDK5 Q00535 3/20 0.46
CDK5R1 Q15078 3/20 0.46
DYRK1B Q9Y463 3/20 0.46
DHODH Q02127 3/20 0.46
DYRK3 O43781 2/20 0.46
CCNT1 O60563 2/20 0.46
CDK9 P50750 2/20 0.46
USP2 O75604 1/20 0.45
CREBBP Q92793 1/20 0.45

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
SCHEMBL9535280 0.87 KDM4E (0.63) HSD17B10KDM4EALDH1A1HPGDDHODH
SCHEMBL9535645 0.86 KDM4E (0.48) HSD17B10KDM4EALDH1A1HPGDDHODH
SCHEMBL9535317 0.81 HSD17B10 (0.44) HSD17B10KMT2AKDM4EDYRK1ADYRK2
SCHEMBL9534760 0.81 DYRK1A (0.46) HSD17B10KMT2AKDM4EDYRK1ADYRK2
SCHEMBL9870239 0.74 KDM4E (0.43) HSD17B10KMT2AKDM4EDYRK1ADYRK2
SCHEMBL11467433 0.73 KDM4E (0.54) HSD17B10KMT2AKDM4EDYRK1ADYRK2
SCHEMBL8939337 0.72 DHODH (0.42) HSD17B10KMT2AKDM4EALDH1A1HPGD
SCHEMBL9468353 0.72 KDM4E (0.70) HSD17B10KMT2AKDM4EALDH1A1HPGD
SCHEMBL9534772 0.72 KDM4E (0.56) HSD17B10KMT2AKDM4EDYRK1ADYRK2
SCHEMBL10407651 0.70 DHODH (0.52) KMT2AALDH1A1DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0353902-B1 SUBSTITUTED PHENYLTRIAZOLOPYRIMIDINE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-05-05 EP claimed
EP-0353902-A1 Substituted phenyltriazolopyrimidine herbicides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-02-07 EP claimed
EP-0353902-B1 SUBSTITUTED PHENYLTRIAZOLOPYRIMIDINE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-05-05 EP disclosed
US-5127936-A Substituted phenyltriazolopyrimidine herbicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-07-07 US disclosed
WO-1990012012-A1 SUBSTITUTED PHENYLTRIAZOLOPYRIMIDINE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-10-18 WO disclosed
EP-0353902-A1 Substituted phenyltriazolopyrimidine herbicides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-02-07 EP disclosed