SCHEMBL29348229

SCHEMBL29348229

CC(C)N1C(=O)CN(C)c2ccncc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 2/20 0.36
TSHR P16473 2/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MITF O75030 2/20 0.34
LMNA P02545 2/20 0.34
RAB9A P51151 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
BMPR1B O00238 3/20 0.34
BMPR1A P36894 3/20 0.34
ACVRL1 P37023 3/20 0.34
ACVR1 Q04771 3/20 0.34
TGFBR1 P36897 1/20 0.34
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
RECQL P46063 1/20 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
SCHEMBL14560232 0.74 BMPR1B (0.46) CYP3A4CYP2D6TSHRALDH1A1SMN1; SMN2
SCHEMBL13000004 0.74 BMPR1B (0.49) CYP3A4CYP2D6TSHRALDH1A1SMN1; SMN2
SCHEMBL29348230 0.74 PRKDC (0.32) SMN1; SMN2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL13019295 0.73 SMN1; SMN2 (0.40) CYP3A4CYP2D6TSHRALDH1A1SMN1; SMN2
SCHEMBL8136850 0.73 SMN1; SMN2 (0.40) CYP3A4CYP2D6TSHRSMN1; SMN2CYP11B1
SCHEMBL23563045 0.71 SIGMAR1 (0.41) CYP3A4CYP2D6TSHRALDH1A1SMN1; SMN2
SCHEMBL29348208 0.71 CYP11B1 (0.41) CYP3A4CYP2D6TSHRALDH1A1SMN1; SMN2
SCHEMBL23563044 0.71 SIGMAR1 (0.41) CYP3A4CYP2D6TSHRALDH1A1SMN1; SMN2
SCHEMBL29348228 0.71 SMN1; SMN2 (0.39) CYP2D6TSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL261618 0.68 CYP3A4 (0.40) CYP3A4CYP11B1CYP11B2MAPTGAA

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-2024151547-A1 TARGETED DEGRADATION OF VAV1 MONTE ROSA THERAPEUTICS, INC. (US) 2024-07-18 WO disclosed