SCHEMBL9851456

SCHEMBL9851456

Cc1nc2cccnc2n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.52
AGTR2 P50052 3/20 0.52
AGT P01019 2/20 0.45
BRD4 O60885 3/20 0.43
P2RX7 Q99572 2/20 0.39
H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 P62805 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.37
TNF P01375 1/20 0.37
TBXA2R P21731 1/20 0.37
TP53 P04637 1/20 0.37
ENPP2 Q13822 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
SCHEMBL9851481 0.90 AGTR1 (0.54) AGTR1AGTR2AGTBRD4POLB
SCHEMBL9851487 0.88 AGTR1 (0.63) AGTR1AGTR2AGTPDE4APDE4B
SCHEMBL9854421 0.87 AGTR1 (0.62) AGTR1AGTR2AGTENPP2
SCHEMBL9851445 0.86 AGTR1 (0.53) AGTR1AGTR2AGTBRD4P2RX7
SCHEMBL9402014 0.86 AGTR1 (0.57) AGTR1AGTR2AGTPOLBLMNA
SCHEMBL9702222 0.81 AGTR1 (0.57) AGTR1AGTR2AGTP2RX7
SCHEMBL9851420 0.80 AGTR1 (0.55) AGTR1AGTR2AGTBRD4P2RX7
SCHEMBL1413257 0.79 AGTR1 (0.53) AGTR1AGTR2AGTLMNATP53
SCHEMBL9402064 0.78 AGTR1 (0.55) AGTR1AGTR2AGTLMNA
SCHEMBL9851410 0.78 AGTR1 (0.64) AGTR1AGTR2AGT

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
EP-0434038-A1 Fused imidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-06-26 EP disclosed