SCHEMBL30499653

SCHEMBL30499653

Fc1ccc(Cl)cc1-c1cc(Nc2ccc3ncsc3c2)c(C2=CCNCC2)nn1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 7/20 0.37
IKBKB O14920 3/20 0.33
CHUK O15111 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
IRAK4 Q9NWZ3 3/20 0.33
SOS1 Q07889 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
JAK3 P52333 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C8 P10632 1/20 0.32
POLB P06746 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL25309803 1.00 TGFBR1 (0.37) TGFBR1IKBKBCHUKNPC1RAB9A
SCHEMBL30499652 0.77 CNR1 (0.42) CCNT1CDK9
SCHEMBL25311741 0.77 CNR1 (0.42) CCNT1CDK9
SCHEMBL25130926 0.76 TGFBR1 (0.46) TGFBR1IKBKBCHUKNPC1RAB9A
SCHEMBL25309959 0.71 LMNA (0.41) TGFBR1CYP3A4
SCHEMBL30499631 0.71 LMNA (0.41) TGFBR1CYP3A4
SCHEMBL14500600 0.69 CDK9 (0.46) CCNT1CDK9
Hydrochloric Acid SCHEMBL5661887 0.68 CDK9 (0.46) CCNT1CDK9
SCHEMBL31464360 0.67 RIPK2 (0.47) TGFBR1
SCHEMBL5005669 0.65 RIPK2 (0.41) CCNT1CDK9

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
EP-4463448-A1 PYRIDAZINYL AMINO DERIVATIVES AS ALK5 INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2024-11-20 EP disclosed
WO-2023135107-A1 PYRIDAZINYL AMINO DERIVATIVES AS ALK5 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2023-07-20 WO disclosed