SCHEMBL7970445

SCHEMBL7970445

CCCCCOc1ccc(N=C(N)c2cccs2)cc1CNC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QRFPR Q96P65 4/20 0.49
NOS3 P29474 6/20 0.46
NOS1 P29475 6/20 0.46
CHUK O15111 1/20 0.45
DAPK3 O43293 1/20 0.45
JAK2 O60674 1/20 0.45
ROCK2 O75116 1/20 0.45
PRKCG P05129 1/20 0.45
CDK1 P06493 1/20 0.45
PIM1 P11309 1/20 0.45
RPS6KB1 P23443 1/20 0.45
CDK2 P24941 1/20 0.45
AKT1 P31749 1/20 0.45
AKT2 P31751 1/20 0.45
MAPKAPK2 P49137 1/20 0.45
BLK P51451 1/20 0.45
RPS6KA3 P51812 1/20 0.45
JAK3 P52333 1/20 0.45
LIMK1 P53667 1/20 0.45
PRKCZ Q05513 1/20 0.45

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
SCHEMBL7564022 0.94 QRFPR (0.51) QRFPRNOS3NOS1NOS2
Hydrochloric Acid SCHEMBL7569078 0.93 QRFPR (0.50) QRFPRNOS3NOS1NOS2
SCHEMBL7973909 0.89 QRFPR (0.53) QRFPRNOS3NOS1CHUKDAPK3
SCHEMBL7973912 0.89 QRFPR (0.49) QRFPRNOS3NOS1CHUKDAPK3
SCHEMBL7972156 0.88 NOS1 (0.47) QRFPRNOS3NOS1NOS2
SCHEMBL7973735 0.87 QRFPR (0.45) QRFPRNOS3NOS1NOS2
Hydrochloric Acid SCHEMBL7973933 0.87 QRFPR (0.50) QRFPRNOS3NOS1CHUKDAPK3
SCHEMBL7564087 0.85 QRFPR (0.66) QRFPRNOS3NOS1NOS2
Hydrochloric Acid SCHEMBL7563787 0.84 QRFPR (0.64) QRFPRNOS3NOS1NOS2
SCHEMBL7565050 0.82 QRFPR (0.50) QRFPRNOS3NOS1NOS2

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-2001046170-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 WO claimed