SCHEMBL9425969

SCHEMBL9425969

CC(NC(=NC#N)Nc1ccc(N)nc1)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.36
KCNJ11 Q14654 17/20 0.35
ABCC9 O60706 3/20 0.35
CYP3A4 P08684 2/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL9425967 1.00 BRAF (0.36) BRAFKCNJ11ABCC9CYP3A4LMNA
SCHEMBL10446808 0.81 KCNJ11 (0.41) KCNJ11ABCC9CYP3A4LMNACYP1A2
SCHEMBL9425848 0.80 ABL1 (0.38) KCNJ11LMNAMEN1POLBKMT2A
SCHEMBL9456838 0.79 ABCC9 (0.51) KCNJ11ABCC9CYP3A4LMNACYP1A2
Pinacidil Anhydrous SCHEMBL2131829 0.78 ABCC9 (0.56) KCNJ11ABCC9CYP3A4LMNACYP1A2
Naminidil SCHEMBL7639234 0.78 ABCC9 (0.56) KCNJ11ABCC9CYP3A4LMNACYP1A2
Pinacidil Anhydrous SCHEMBL2131822 0.78 ABCC9 (0.56) KCNJ11ABCC9CYP3A4LMNACYP1A2
Pinacidil Anhydrous SCHEMBL65788 0.78 ABCC9 (0.56) KCNJ11ABCC9CYP3A4LMNACYP1A2
Naminidil SCHEMBL1159568 0.78 ABCC9 (0.56) KCNJ11ABCC9CYP3A4LMNACYP1A2
Naminidil SCHEMBL7639232 0.78 ABCC9 (0.56) KCNJ11ABCC9CYP3A4LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5371086-A Circulatory disorders side effect reduction THE GREEN CROSS CORPORATION (JP) 1994-12-06 US disclosed
US-5262415-A FOR TREATING DISEASES OF THE CIRCULATORY SYSTEM THE GREEN CROSS CORPORATION (JP) 1993-11-16 US disclosed
EP-0503627-A1 Aminopyridine compounds THE GREEN CROSS CORPORATION (JP) 1992-09-16 EP disclosed