SCHEMBL14531789

SCHEMBL14531789

CCC(CN(CC)C(=O)C1(CN)CC1)c1cc(-c2ccc3cn(Cc4ccccc4)nc3c2)c2c(N)ncnn12

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 3/20 0.34
▸ ACVRL1 P37023 5/20 0.33
▸ RIPK1 Q13546 10/20 0.33
▸ PIK3CD O00329 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
SCHEMBL14312813 0.80 ACVRL1 (0.43) CFTRACVRL1RIPK1
SCHEMBL14327086 0.79 RIPK1 (0.36) RIPK1
SCHEMBL14327061 0.78 ACVRL1 (0.36) CFTRACVRL1RIPK1
SCHEMBL14531788 0.77 ACVRL1 (0.43) ACVRL1
SCHEMBL14312477 0.75 ACVRL1 (0.40) ACVRL1RIPK1
SCHEMBL14312618 0.74 TYRO3 (0.48) ACVRL1
SCHEMBL14327068 0.73 RIPK1 (0.37) ACVRL1RIPK1
SCHEMBL16496876 0.73 PIK3CD (0.41) ACVRL1RIPK1PIK3CD
SCHEMBL14888089 0.73 ACVRL1 (0.40) ACVRL1PIK3CD
SCHEMBL16496878 0.73 RIPK1 (0.43) ACVRL1RIPK1PIK3CD

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-2007056170-A2 PYRROLO[2,1-F] [1,2,4] TRIAZIN-4-YLAMINES IGF-1R KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER HYPERPROLIFERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2007-05-18 — — WO disclosed
Send feedback