SCHEMBL27361980

SCHEMBL27361980

CC(C)N1C(=O)Cc2ccc(N)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 3/20 0.40
BMPR1A P36894 3/20 0.40
ACVRL1 P37023 3/20 0.40
ACVR1 Q04771 3/20 0.40
TGFBR1 P36897 1/20 0.40
ATAD2 Q6PL18 2/20 0.39
CYP19A1 P11511 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
CTSC P53634 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CA9 Q16790 1/20 0.33
BRD4 O60885 1/20 0.33
HSD17B3 P37058 1/20 0.33
NOTUM Q6P988 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
CASP1 P29466 2/20 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
SCHEMBL4201949 0.87 BMPR1B (0.49) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL5510757 0.85 BMPR1B (0.48) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL2063005 0.83 BRD4 (0.42) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL20353827 0.81 HSD17B10 (0.43) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL17254672 0.80 BMPR1B (0.41) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL15625470 0.80 BMPR1B (0.40) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL14822128 0.80 BMPR1B (0.40) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL16203620 0.78 ALDH1A1 (0.45) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL22152601 0.78 CTSC (0.39) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL12991998 0.77 ATAD2 (0.41) BMPR1BBMPR1AACVRL1ACVR1TGFBR1

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
WO-2024035950-A1 INHIBITORS OF KIF18A AND USES THEREOF ACCENT THERAPEUTICS, INC. (US) 2024-02-15 WO disclosed
WO-2024035950-A1 INHIBITORS OF KIF18A AND USES THEREOF ACCENT THERAPEUTICS, INC. (US) 2024-02-15 WO disclosed