SCHEMBL4440104

SCHEMBL4440104

CCOC(=O)c1cnc(C2CCN(C)CC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
ALDH1A1 P00352 5/20 0.43
POLB P06746 1/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41
LMNA P02545 2/20 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
SCHEMBL62725 0.85 SMO (0.41) ATMMAPK1
SCHEMBL4438497 0.83 PLAT (0.45) ATMALDH1A1POLBGABRPGABRD
SCHEMBL4431045 0.82 GPR119 (0.54) ATMALDH1A1POLBLMNAMAPT
SCHEMBL22919996 0.81 KMT2A (0.45) ATMGABRPGABRDGABRA1GABRB1
SCHEMBL31186133 0.78 CYP1A2 (0.57) ALDH1A1MAPTFDFT1CNR2MEN1
SCHEMBL1019601 0.76 CYP1A2 (0.59) ALDH1A1POLBGABRPGABRDGABRA1
SCHEMBL1644521 0.73 POLB (0.70) ATMALDH1A1POLBLMNAMAPK1
SCHEMBL81385 0.73 WNT3A (0.38)
SCHEMBL2774105 0.73 RAB9A (0.50) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL26117654 0.73 SMO (0.39) ATMKMT2A

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
EP-2125748-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS AstraZeneca AB (SE) 2009-12-02 EP disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed