SCHEMBL8968199

SCHEMBL8968199

CC(C)(C)c1ccc(C#N)cc1N/C(=N\C#N)Nc1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 8/20 0.45
KCNJ11 Q14654 8/20 0.45
ABCC8 Q09428 6/20 0.45
KCNJ8 Q15842 6/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
ALPL P05186 1/20 0.41
LMNA P02545 2/20 0.40
BRAF P15056 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
CYP17A1 P05093 1/20 0.37

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
SCHEMBL8968203 1.00 ABCC9 (0.45) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL8968824 0.87 CXCR2 (0.44) ABCC9KCNJ11MEN1KMT2AMAPT
SCHEMBL8968827 0.87 CXCR2 (0.44) ABCC9KCNJ11MEN1KMT2AMAPT
SCHEMBL8968218 0.84 CYP11B1 (0.54) MEN1KMT2ACYP11B1CYP11B2LMNA
SCHEMBL8968206 0.78 ABCC9 (0.42) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL9551254 0.75 ABCC9 (0.55) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL9463611 0.75 ABCC9 (0.55) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL11156357 0.75 RAB9A (0.57) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL4685504 0.74 LMNA (0.54) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL4685507 0.74 LMNA (0.54) ABCC9KCNJ11ABCC8KCNJ8MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5547966-A Aryl urea and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-20 US claimed
EP-0656350-A1 Biaryl urea and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1995-06-07 EP claimed
US-5547966-A Aryl urea and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-20 US disclosed
EP-0656350-A1 Biaryl urea and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1995-06-07 EP disclosed