SCHEMBL29914380

SCHEMBL29914380

CN1CCN(c2ccc(-c3cnc(N)c(-c4ccc5c(c4)C(=O)NC5=O)c3)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FYN P06241 8/20 0.67
TGFBR1 P36897 9/20 0.53
ACVR1 Q04771 9/20 0.53
RIPK2 O43353 2/20 0.47
NOD2 Q9HC29 2/20 0.47
JAK2 O60674 1/20 0.46

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
SCHEMBL24680827 1.00 FYN (0.67) FYNTGFBR1ACVR1RIPK2NOD2
SCHEMBL29914458 0.86 FYN (0.60) FYNTGFBR1ACVR1RIPK2NOD2
SCHEMBL24681090 0.86 FYN (0.60) FYNTGFBR1ACVR1RIPK2NOD2
SCHEMBL24681351 0.85 FYN (0.68) FYNTGFBR1ACVR1
SCHEMBL24681043 0.85 FYN (0.64) FYNTGFBR1ACVR1RIPK2NOD2
SCHEMBL24680896 0.84 FYN (0.61) FYNTGFBR1ACVR1RIPK2NOD2
SCHEMBL29914547 0.82 FYN (0.58) FYNTGFBR1ACVR1RIPK2NOD2
SCHEMBL24681149 0.82 FYN (0.58) FYNTGFBR1ACVR1RIPK2NOD2
SCHEMBL2225829 0.80 FYN (1.00) FYNTGFBR1ACVR1
SCHEMBL18613336 0.80 FYN (1.00) FYNTGFBR1ACVR1

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
WO-2022226667-A1 SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 WO disclosed