SCHEMBL27958146

SCHEMBL27958146

Cc1c2ccc(N(C(N)=O)c3ccccc3CNN3CCN(C)CC3)cc2nn1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 2/20 0.36
▸ HDAC1 Q13547 9/20 0.34
▸ HDAC6 Q9UBN7 9/20 0.34
▸ KDR P35968 8/20 0.34
▸ HDAC3 O15379 7/20 0.34
▸ HDAC4 P56524 7/20 0.34
▸ HDAC7 Q8WUI4 7/20 0.34
▸ HDAC2 Q92769 7/20 0.34
▸ HDAC10 Q969S8 7/20 0.34
▸ HDAC11 Q96DB2 7/20 0.34
▸ HDAC8 Q9BY41 7/20 0.34
▸ HDAC9 Q9UKV0 7/20 0.34
▸ HDAC5 Q9UQL6 7/20 0.34
▸ FLT1 P17948 3/20 0.34
▸ FLT4 P35916 2/20 0.34
▸ KIT P10721 2/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ PDGFRB P09619 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ PARP1 P09874 6/20 0.33

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
SCHEMBL27958147 0.77 PARP1 (0.33) QPCTHDAC1HDAC6KDRHDAC3
SCHEMBL27958145 0.76 KDR (0.41) QPCTHDAC1HDAC6KDRHDAC3
SCHEMBL27958138 0.73 KDR (0.38) QPCTHDAC1HDAC6KDRHDAC3
SCHEMBL27958143 0.72 HDAC3 (0.35) QPCTHDAC1HDAC6KDRHDAC3
SCHEMBL27958168 0.71 HDAC1 (0.40) QPCTHDAC1HDAC6KDRHDAC3
SCHEMBL27958135 0.70 KDR (0.40) QPCTHDAC1HDAC6KDRHDAC3
SCHEMBL27958141 0.68 KDR (0.42) QPCTHDAC1HDAC6KDRHDAC3
SCHEMBL27958167 0.68 KDR (0.46) QPCTHDAC1HDAC6KDRHDAC3
SCHEMBL27958139 0.68 MEN1 (0.42) QPCTHDAC1HDAC6KDRHDAC3
SCHEMBL27958137 0.68 KDR (0.39) QPCTHDAC1HDAC6KDRHDAC3

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
CN-103739550-A 2, 3-dimethyl-6-urea-2H-indazole compound and preparation method and application thereof UNIV CHINA PHARMA 2014-04-23 — — CN disclosed
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