SCHEMBL9524641

SCHEMBL9524641

O=C(NCc1ccccc1)c1nnc2ccc(F)cc2c1O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
ADORA2A P29274 2/20 0.45
ADORA1 P30542 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PTGER4 P35408 1/20 0.44
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
ADORA2B P29275 1/20 0.43
CALCA P06881 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL9523824 0.86 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2PTGER4MAPTCYP1A2
SCHEMBL9527944 0.86 NSD2 (0.50) ALDH1A1ADORA2AMAPTKMT2A
SCHEMBL9525718 0.85 TP53 (0.47) ADORA2AADORA1PTGER4CYP1A2CYP2C19
SCHEMBL9524520 0.85 LMNA (0.51) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C19
SCHEMBL9524438 0.85 MEN1 (0.50) ADORA2AADORA1CYP2C19KMT2AADORA3
SCHEMBL9523879 0.82 GSK3B (0.53) SMN1; SMN2PTGER4MAPTKMT2A
SCHEMBL9527272 0.81 PTPN1 (0.50) ALDH1A1SMN1; SMN2MAPTKMT2ARAB9A
SCHEMBL9525598 0.81 KMT2A (0.49) ALDH1A1MAPTCYP2C19KMT2A
SCHEMBL9524293 0.81 TP53 (0.46) SMN1; SMN2KMT2AADORA3RAB9A
SCHEMBL9524845 0.80 PLA2G2A (0.41) ALDH1A1PTGER4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0277791-B1 CINNOLINE-CARBOXAMIDES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1993-06-02 EP claimed
EP-0277791-A2 Cinnoline-carboxamides and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1988-08-10 EP claimed
EP-0277791-B1 CINNOLINE-CARBOXAMIDES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1993-06-02 EP disclosed
US-4826837-A IMMUNOMODULATORS FARMITALIA CARLO ERBA S.R.L. (IT) 1989-05-02 US disclosed
EP-0277791-A2 Cinnoline-carboxamides and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1988-08-10 EP disclosed