SCHEMBL9739273

SCHEMBL9739273

Clc1ncc2ncn(Cc3ccccc3Cl)c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.49
ALDH1A1 P00352 3/20 0.43
USP2 O75604 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
LMNA P02545 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
YTHDC1 Q96MU7 4/20 0.43
FGFR1 P11362 1/20 0.43
FGFR4 P22455 1/20 0.43
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
CCR4 P51679 1/20 0.42
ADORA2A P29274 1/20 0.42
CNR2 P34972 1/20 0.42
BRD4 O60885 1/20 0.41

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
SCHEMBL9738484 0.87 FGFR1 (0.49) LMNAYTHDC1FGFR1FGFR4ADORA2A
SCHEMBL782938 0.84 YTHDC1 (0.53) ACP1YTHDC1FGFR1FGFR4ADORA2A
SCHEMBL9740503 0.83 ACP1 (0.44) ACP1ALDH1A1USP2CYP1A2CYP2C9
SCHEMBL9741179 0.83 CCR4 (0.48) ACP1YTHDC1CCR4CNR2BRD4
SCHEMBL22345218 0.77 YTHDC1 (0.54) ACP1ALDH1A1YTHDC1ADORA2ACNR2
SCHEMBL9738831 0.77 FGFR1 (0.50) ACP1ALDH1A1TSHRFGFR1FGFR4
SCHEMBL23093469 0.75 CYP1A2 (0.43) ALDH1A1USP2CYP1A2CYP2C9CYP2C19
SCHEMBL7215799 0.74 CYP11B1 (0.67) ALDH1A1USP2LMNATSHRBRD4
SCHEMBL5839419 0.73 FGFR1 (0.40) ALDH1A1YTHDC1FGFR1FGFR4CCR4
SCHEMBL29601304 0.73 FGFR1 (0.41) ALDH1A1FGFR1FGFR4MEN1KMT2A

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-5110818-A Antiepileptic agents CIBA-GEIGY CORPORATION (US) 1992-05-05 US disclosed
EP-0363320-A2 Substituted 9H purine CIBA-GEIGY AG (CH) 1990-04-11 EP disclosed