SCHEMBL13680766

SCHEMBL13680766

Cc1cccc2c(C(C)N)ccc-2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ MET P08581 1/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ PDGFRA P16234 1/20 0.40
▸ PRKACA P17612 1/20 0.40
▸ LTK P29376 1/20 0.40
▸ GRK5 P34947 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ MAPK8 P45983 1/20 0.40
▸ CSNK1A1 P48729 1/20 0.40
▸ CDK8 P49336 1/20 0.40

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
SCHEMBL10720270 0.77 CA12 (0.46) RAB9AALDH1A1MAPTNPC1NFKB1
SCHEMBL3852918 0.76 CA12 (0.44) ALDH1A1CYP2D6LMNAHPGDHSD17B10
SCHEMBL10417158 0.76 TRPA1 (0.46) CHEK1MAP4K4ABL1NTRK1LCK
SCHEMBL7743329 0.71 ADRB1 (0.46) MAP4K4PDGFRBPIM1FGFR1PDGFRA
SCHEMBL13680767 0.71 ACHE (0.37) ACHERAB9AALDH1A1MAPTNPC1
SCHEMBL28414965 0.71 ACHE (0.55) CHEK1MAP4K4ABL1NTRK1LCK
Hydrochloric Acid SCHEMBL7743489 0.70 ADRB1 (0.45) MAP4K4PDGFRBPIM1FGFR1PDGFRA
SCHEMBL1254511 0.70 CA12 (0.46) ALDH1A1NFKB1CYP1A2CYP3A4CYP2D6
SCHEMBL26307961 0.70 CA12 (0.46) ALDH1A1NFKB1CYP1A2CYP3A4CYP2D6
SCHEMBL12434746 0.69 CHRM1 (0.42) CHEK1MAP4K4ABL1NTRK1LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 — — US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 — — US disclosed
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