SCHEMBL10227131

SCHEMBL10227131

CCc1ccc(-c2csc3c(NC(C)C)ncnc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LPAR2 Q9HBW0 6/20 0.41
▸ PDE4B Q07343 3/20 0.37
▸ PDE7A Q13946 3/20 0.37
▸ GPR119 Q8TDV5 5/20 0.37
▸ SYK P43405 1/20 0.36
▸ CD38 P28907 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ LPAR1 Q92633 2/20 0.35

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
SCHEMBL15214852 0.86 LPAR2 (0.42) LPAR2CD38
SCHEMBL2477392 0.85 MAPK1 (0.41) LPAR2GPR119CD38
SCHEMBL15214864 0.85 LPAR2 (0.40) LPAR2PDE4BPDE7AGPR119CD38
SCHEMBL10176269 0.82 LPAR2 (0.39) LPAR2PDE4BPDE7AGPR119SYK
SCHEMBL27410321 0.72 LPAR2 (0.51) LPAR2LPAR1
SCHEMBL30808044 0.69 PDPK1 (0.48) LPAR2
SCHEMBL16864137 0.65 SMN1; SMN2 (0.37) GPR119POLB
SCHEMBL14478872 0.63 FGFR1 (0.60) —
SCHEMBL24671042 0.62 CYP2C19 (0.36) SYK
SCHEMBL30715861 0.62 PDE4B (0.51) LPAR2PDE4BPDE7ASYKCD38

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-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 — — US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 — — US disclosed
Send feedback