SCHEMBL19660993

SCHEMBL19660993

CN1CCN(c2ccc(-c3cnc4c(-c5ccnc6ccccc56)cnn4c3)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACVR1B P36896 12/20 1.00
KDR P35968 6/20 1.00
TGFBR1 P36897 6/20 1.00
PRKAB1 Q9Y478 6/20 1.00
TGFBR2 P37173 5/20 1.00
BMPR2 Q13873 4/20 1.00
ACVR1 Q04771 12/20 0.79
ACVRL1 P37023 10/20 0.79
BMPR1B O00238 9/20 0.79
BMPR1A P36894 8/20 0.79
BMP4 P12644 7/20 0.79
RIPK2 O43353 1/20 0.79
ACVR2A P27037 1/20 0.79
ACVR2B Q13705 1/20 0.79

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
SCHEMBL31060174 1.00 ACVR1B (1.00) ACVR1BKDRTGFBR1PRKAB1TGFBR2
SCHEMBL29389388 0.90 ACVR1B (0.83) ACVR1BKDRTGFBR1PRKAB1TGFBR2
SCHEMBL17817805 0.90 ACVR1B (0.83) ACVR1BKDRTGFBR1PRKAB1TGFBR2
SCHEMBL11954476 0.89 ACVR1B (0.81) ACVR1BKDRTGFBR1PRKAB1TGFBR2
SCHEMBL31060242 0.89 ACVR1B (1.00) ACVR1BKDRTGFBR1PRKAB1TGFBR2
SCHEMBL456393 0.88 ACVR1 (1.00) ACVR1BKDRTGFBR1PRKAB1TGFBR2
SCHEMBL29353046 0.88 ACVR1 (1.00) ACVR1BKDRTGFBR1PRKAB1TGFBR2
Hydrochloric Acid SCHEMBL2059683 0.87 ACVR1 (0.98) ACVR1BKDRTGFBR1PRKAB1TGFBR2
Hydrochloric Acid SCHEMBL22462135 0.87 ACVR1 (0.98) ACVR1BKDRTGFBR1PRKAB1TGFBR2
Hydrochloric Acid SCHEMBL29634729 0.87 ACVR1 (0.98) ACVR1BKDRTGFBR1PRKAB1TGFBR2

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
US-20230332107-A1 CELL THERAPY FOR DIABETES VERTEX PHARMACEUTICALS INCORPORATED 2023-10-19 US disclosed
WO-2017205746-A1 METHODS OF DIFFERENTIATING STEM CELL-DERIVED PROPRIOCEPTORS MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2017-11-30 WO disclosed