Sugi Predict

Sugi Predict / Compounds / SCHEMBL936439

SCHEMBL936439

SCHEMBL936439

CC(C#N)NC(=O)c1cccc(-c2cc(-c3ccc(CNC4CCOCC4)cc3)on2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PRKD1 Q15139 14/20 1.00
▸ PRKD3 O94806 1/20 1.00
▸ PRKD2 Q9BZL6 1/20 1.00
▸ ATM Q13315 1/20 0.46
▸ ATR Q13535 1/20 0.46
▸ PRMT5 O14744 1/20 0.38
▸ PPARG P37231 2/20 0.37
▸ PPARA Q07869 2/20 0.37
▸ CCR2 P41597 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.36

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
SCHEMBL936438 1.00 PRKD1 (1.00) PRKD1PRKD3PRKD2ATMATR
SCHEMBL6924103 1.00 PRKD1 (1.00) PRKD1PRKD3PRKD2ATMATR
SCHEMBL935676 0.93 PRKD1 (0.88) PRKD1PRKD3PRKD2ATMATR
SCHEMBL938258 0.92 PRKD1 (0.85) PRKD1PRKD3PRKD2ATMATR
SCHEMBL6924074 0.91 PRKD1 (1.00) PRKD1PRKD3PRKD2ATMATR
SCHEMBL936479 0.89 PRKD1 (0.81) PRKD1PRKD3PRKD2ATMATR
SCHEMBL936937 0.89 PRKD1 (0.81) PRKD1PRKD3PRKD2
SCHEMBL936935 0.89 PRKD1 (0.81) PRKD1PRKD3PRKD2
SCHEMBL6923622 0.89 PRKD1 (0.80) PRKD1PRKD3PRKD2ATMATR
SCHEMBL936535 0.88 PRKD1 (0.79) PRKD1PRKD3PRKD2ATMATR

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-2011009484-A1 ARYLPYRAZOLES AND ARYLISOXAZOLES AND THEIR USE AS PKD MODULATORS NOVARTIS AG (CH) 2011-01-27 — — WO disclosed