SCHEMBL14197377

SCHEMBL14197377

Cc1ccc(C(=O)Nc2ccc(Cc3c[nH]c4c3=CCCN=4)cn2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKAB2 O43741 1/20 0.38
▸ PRKAG1 P54619 1/20 0.38
▸ PRKAA2 P54646 1/20 0.38
▸ PRKAA1 Q13131 1/20 0.38
▸ PRKAG3 Q9UGI9 1/20 0.38
▸ PRKAG2 Q9UGJ0 1/20 0.38
▸ PRKAB1 Q9Y478 1/20 0.38
▸ PARP1 P09874 3/20 0.37
▸ DEGS1 O15121 1/20 0.37
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ F10 P00742 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34

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
SCHEMBL14197370 0.87 KDM4E (0.44) PRKAA2PARP1DEGS1ALDH1A1F10
SCHEMBL14196576 0.82 WNT1 (0.41) PARP1ALDH1A1F10TP53TSHR
SCHEMBL14194134 0.80 NPC1 (0.46) PARP1ALDH1A1KDM4ETP53RAB9A
SCHEMBL1266741 0.76 CSF1R (0.52) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL14196176 0.76 CYP2C19 (0.44) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL14197362 0.70 CYP2C19 (0.33) —
SCHEMBL14194976 0.69 CSF1R (0.39) ALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL14194180 0.69 CYP3A4 (0.43) —
SCHEMBL14236226 0.67 CSF1R (0.55) PARP1DEGS1KDM4ETP53TSHR
SCHEMBL1266454 0.66 CSF1R (0.51) PARP1ALDH1A1RAB9ASMN1; SMN2

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-2008064265-A2 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON, INC. (US) 2008-05-29 — — WO disclosed
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