SCHEMBL30632316

SCHEMBL30632316

COc1cc2nc(-c3cccc(Br)n3)cn2nc1C1CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JUND P17535 1/20 0.34
▸ FOSB P53539 1/20 0.34
▸ NRAS P01111 6/20 0.33
▸ FLT3 P36888 5/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CRHBP P24387 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ACVR2A P27037 1/20 0.31
▸ TGFBR2 P37173 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.31
▸ SUV39H2 Q9H5I1 3/20 0.31
▸ F2RL3 Q96RI0 2/20 0.31
▸ ACHE P22303 1/20 0.31

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
SCHEMBL30852920 0.84 ACVR2A (0.37) JUNDFOSBNRASFLT3KDM4E
SCHEMBL29370090 0.81 SUV39H2 (0.38) KDM4EALDH1A1HPGDTSHRHTT
SCHEMBL29682741 0.79 PIK3CG (0.34) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL24542495 0.78 FLT3 (0.42) NRASFLT3PDE4DPDGFRBCDK7
SCHEMBL29682761 0.78 FLT3 (0.42) NRASFLT3PDE4DPDGFRBCDK7
SCHEMBL30698334 0.76 KDM4E (0.32) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL30632342 0.75 KCNJ6 (0.31) F2RL3
SCHEMBL29683000 0.75 RBP4 (0.41) ALDH1A1PDE10ANPC1RAB9ASMN1; SMN2
SCHEMBL31639341 0.75 PDE10A (0.34) KDM4EALDH1A1HPGDMEN1TSHR
SCHEMBL31000313 0.74 SUV39H2 (0.33) SUV39H2F2RL3

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-116887834-A Polycyclic IRAK and flt3 inhibiting compounds and uses thereof 儿童医院医学中心 2023-10-13 — — CN disclosed
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