SCHEMBL2922698

SCHEMBL2922698

CCOC(=O)n1nc(NC(=O)c2ccc(N3CCCCC3)cc2)c2c1CNC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.47
MAPT P10636 7/20 0.47
ALDH1A1 P00352 4/20 0.47
ALOX15 P16050 3/20 0.47
HSD17B10 Q99714 2/20 0.47
SMN1; SMN2 Q16637 7/20 0.44
RAB9A P51151 7/20 0.44
NPC1 O15118 6/20 0.44
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MCL1 Q07820 2/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NR4A1 P22736 1/20 0.42
TP53 P04637 4/20 0.41
HTT P42858 2/20 0.41
MAPK1 P28482 1/20 0.41
USP2 O75604 3/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 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
SCHEMBL5449603 0.91 MEN1 (0.49) KMT2AMAPTALOX15HSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL2927668 0.91 MEN1 (0.48) KMT2AMAPTALOX15HSD17B10SMN1; SMN2
SCHEMBL6503870 0.91 FGFR1 (0.45) KMT2ASMN1; SMN2RAB9ANPC1MEN1
SCHEMBL2928661 0.90 KMT2A (0.38) KMT2AMAPTALDH1A1ALOX15HSD17B10
Hydrochloric Acid SCHEMBL2927706 0.90 FGFR1 (0.44) KMT2ASMN1; SMN2RAB9ANPC1MEN1
SCHEMBL3903873 0.89 FGFR1 (0.42) KMT2AMAPTALDH1A1ALOX15HSD17B10
Hydrochloric Acid SCHEMBL5894517 0.89 KMT2A (0.38) KMT2AMAPTALDH1A1ALOX15HSD17B10
SCHEMBL2921040 0.88 FGFR1 (0.40) KMT2AMAPTALDH1A1ALOX15HSD17B10
Hydrochloric Acid SCHEMBL2929385 0.88 KMT2A (0.38) KMT2AMAPTALDH1A1ALOX15HSD17B10
Hydrochloric Acid SCHEMBL2923186 0.88 FGFR1 (0.42) KMT2AMAPTALDH1A1ALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644376-B1 PYRROLO 3,4-c PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2010-09-08 EP disclosed
EP-1644376-A1 PYRROLO 3,4-c PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2006-04-12 EP disclosed
WO-2005005427-A1 PYRROLO[3,4-c]PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2005-01-20 WO disclosed