SCHEMBL12812516

SCHEMBL12812516

NC1CN(c2cnc3ccc(-c4ccc(NC(=O)Cc5ccccc5)cc4)cc3n2)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 3/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ NR4A1 P22736 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ NPC1 O15118 6/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ SLC2A1 P11166 1/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ MCHR1 Q99705 1/20 0.43
▸ MCL1 Q07820 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ PKM P14618 1/20 0.41

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
SCHEMBL1443118 0.91 WNT3A (0.45) WNT3ASMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL1442384 0.90 WNT3A (0.44) WNT3ASMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL1443019 0.89 WNT3A (0.43) WNT3ASMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL1443409 0.88 MAPT (0.56) WNT3ASMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL12812484 0.88 SMN1; SMN2 (0.46) WNT3ASMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL1443105 0.87 SLC2A1 (0.49) WNT3ASMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL1442689 0.87 SMN1; SMN2 (0.56) WNT3ASMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL1442323 0.87 MCHR1 (0.47) WNT3ASMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL12812498 0.87 WNT3A (0.48) WNT3ASMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL1443467 0.86 KMT2A (0.54) WNT3ASMN1; SMN2MEN1KMT2AKDM4E

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-2011026579-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-10 — — WO disclosed
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