SCHEMBL6619126

SCHEMBL6619126

O=C(Nc1ccc(-c2cc(C3CCC3)n(C(=O)NC3CC3)n2)c(O)c1)c1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CRACR2A Q9BSW2 5/20 0.48
▸ KDM4E B2RXH2 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ACKR3 P25106 2/20 0.40
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MAPK1 P28482 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ AHR P35869 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ NAMPT P43490 1/20 0.38

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
SCHEMBL6617672 0.86 CRACR2A (0.47) CRACR2AKDM4ELMNATDP1POLB
SCHEMBL6617027 0.84 CYP3A4 (0.41) KDM4ELMNAPOLBMEN1KMT2A
SCHEMBL6618182 0.84 MEN1 (0.43) CRACR2ALMNAMEN1KMT2AACKR3
SCHEMBL6617260 0.84 RAB9A (0.48) KDM4ELMNATDP1POLBMEN1
SCHEMBL6617816 0.84 KMT2A (0.52) KDM4ELMNAMEN1KMT2AGAA
SCHEMBL6617757 0.84 CRACR2A (0.45) CRACR2AKDM4ELMNATDP1POLB
SCHEMBL6606741 0.83 JAK2 (0.43) CRACR2ASMN1; SMN2RAB9A
SCHEMBL6626821 0.83 RAF1 (0.46) LMNAPOLBACKR3
SCHEMBL6615052 0.83 MEN1 (0.42) KDM4EPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL6621026 0.83 CRACR2A (0.46) CRACR2AKDM4ELMNATDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP claimed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — WO claimed
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