SCHEMBL24409682

SCHEMBL24409682

C[S+]([O-])c1cccc(-c2cnn3cc(-c4ccc(OC(C)(C)CN5CCCCC5)cc4)cnc23)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 9/20 0.64
ACVRL1 P37023 5/20 0.64
ACVR1B P36896 5/20 0.64
BMPR1B O00238 4/20 0.64
BMPR1A P36894 3/20 0.64
KDR P35968 7/20 0.50
FLT1 P17948 4/20 0.50
FLT4 P35916 3/20 0.50
PRKAB2 O43741 3/20 0.48
BMP4 P12644 3/20 0.48
PRKAG1 P54619 3/20 0.48
PRKAA2 P54646 3/20 0.48
PRKAA1 Q13131 3/20 0.48
PRKAG3 Q9UGI9 3/20 0.48
PRKAG2 Q9UGJ0 3/20 0.48
PRKAB1 Q9Y478 3/20 0.48
LCK P06239 2/20 0.48
SRC P12931 2/20 0.48
YES1 P07947 1/20 0.48
THRB P10828 1/20 0.48

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
SCHEMBL24425053 0.93 ACVR1 (0.64) ACVR1ACVRL1ACVR1BBMPR1BBMPR1A
SCHEMBL24409628 0.85 FLT1 (0.69) ACVR1ACVRL1ACVR1BBMPR1BBMPR1A
SCHEMBL24409663 0.85 ACVR1 (0.46) ACVR1ACVRL1ACVR1BBMPR1BBMPR1A
SCHEMBL19124902 0.85 ACVR1 (0.64) ACVR1ACVRL1ACVR1BBMPR1BBMPR1A
SCHEMBL24412266 0.85 ACVR1 (0.64) ACVR1ACVRL1ACVR1BBMPR1BBMPR1A
SCHEMBL24409700 0.84 FLT1 (0.67) ACVR1ACVRL1ACVR1BBMPR1BBMPR1A
SCHEMBL24409701 0.84 ACVR1 (0.45) ACVR1ACVRL1ACVR1BBMPR1BBMPR1A
SCHEMBL17442152 0.84 ACVR1 (0.66) ACVR1ACVRL1ACVR1BBMPR1BBMPR1A
SCHEMBL24409654 0.84 KDR (0.51) ACVR1ACVRL1ACVR1BBMPR1BBMPR1A
SCHEMBL17448559 0.84 ACVR1 (0.72) ACVR1ACVRL1ACVR1BBMPR1BBMPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023081212-A1 METHODS OF USING ALK2 INHIBITORS KEROS THERAPEUTICS, INC. (US) 2023-05-11 WO disclosed
WO-2022099166-A1 METHODS OF TREATING CARDIOVASCULAR-RELATED DISEASE KEROS THERAPEUTICS, INC. (US) 2022-05-12 WO disclosed
WO-2022098812-A1 METHODS OF TREATING IRON OVERLOAD KEROS THERAPEUTICS, INC. (US) 2022-05-12 WO disclosed
WO-2022098821-A1 METHODS OF TREATING LYMPHOPENIA KEROS THERAPEUTICS, INC. (US) 2022-05-12 WO disclosed