SCHEMBL23962001

SCHEMBL23962001

CCCN(CCC)c1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BMP4 P12644 7/20 0.69
▸ ACVR1 Q04771 14/20 0.67
▸ ACVR1B P36896 13/20 0.67
▸ ACVRL1 P37023 12/20 0.67
▸ BMPR1B O00238 11/20 0.67
▸ BMPR1A P36894 10/20 0.67
▸ KDR P35968 7/20 0.67
▸ TGFBR1 P36897 6/20 0.67
▸ PRKAB1 Q9Y478 6/20 0.67
▸ TGFBR2 P37173 4/20 0.67
▸ BMPR2 Q13873 3/20 0.61
▸ RIPK2 O43353 1/20 0.59
▸ ACVR2A P27037 1/20 0.59
▸ ACVR2B Q13705 1/20 0.59

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
SCHEMBL21156307 0.90 ACVR1 (0.62) BMP4ACVR1ACVR1BACVRL1BMPR1B
SCHEMBL12779920 0.83 BMP4 (0.82) BMP4ACVR1ACVR1BACVRL1BMPR1B
SCHEMBL11953449 0.83 BMP4 (1.00) BMP4ACVR1ACVR1BACVRL1BMPR1B
SCHEMBL17538467 0.82 BMP4 (0.63) BMP4ACVR1ACVR1BACVRL1BMPR1B
SCHEMBL11953445 0.81 BMP4 (1.00) BMP4ACVR1ACVR1BACVRL1BMPR1B
SCHEMBL17531593 0.81 BMP4 (0.82) BMP4ACVR1ACVR1BACVRL1BMPR1B
SCHEMBL12779978 0.81 BMP4 (0.82) BMP4ACVR1ACVR1BACVRL1BMPR1B
SCHEMBL11953447 0.80 BMP4 (1.00) BMP4ACVR1ACVR1BACVRL1BMPR1B
SCHEMBL14671967 0.80 ACVR1 (1.00) BMP4ACVR1ACVR1BACVRL1BMPR1B
SCHEMBL29700879 0.80 ACVR1 (1.00) BMP4ACVR1ACVR1BACVRL1BMPR1B

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-2021216623-A1 GENE EDITING OF LRRK2 IN STEM CELLS AND METHOD OF USE OF CELLS DIFFERENTIATED THEREFROM ASPEN NEUROSCIENCE, INC. (US) 2021-10-28 — — WO disclosed
Send feedback